© 2013

Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures

  • Presents a new, less expensive tool for studying the electronic structure of nanocompounds

  • Particularly interesting for those working with solar cells and LEDs

  • Chapter focusing on the interaction of metals with fullerenes


Part of the Carbon Nanostructures book series (CARBON)

Table of contents

  1. Front Matter
    Pages i-xviii
  2. Oleksandr Loboda
    Pages 1-25
  3. Oleksandr Loboda
    Pages 27-47
  4. Oleksandr Loboda
    Pages 99-111
  5. Oleksandr Loboda
    Pages 113-122
  6. Oleksandr Loboda
    Pages 123-151

About this book


This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.


Density Functional Theory Endohedral Metallofullerenes Fullerene Spectroscopy Fullerene-porphyrin Dyads Functionalized Fullerenes Nonlinear Optical Effects

Authors and affiliations

  1. 1.Institute of Colloid and Water ChemistryKievUkraine

Bibliographic information

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Oil, Gas & Geosciences